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ScientificNameLabel
2,3-dehydro-4-oxo-beta-lonone
PHCD compound ID : 5218
Chemical Names :
2,3-dehydro-4-oxo-beta-lonone
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms:
Smiles: CC(=O)/C=C/C1=C(C)C(=O)C=CC1(C)C
InChi : InChI=1S/C13H16O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H,1-4H3/b6-5+
InChi Key : InChIKey=SYVOMAJRFUGVQI-AATRIKPKSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.966371
Hydrogen bond donor count : 0 Electric dipole moment : 2.700
XLogP : 2.145 VDW volume : 225.44596
Molecular weight : 204.11503 HOMO-LUMO gap : 9.179000
Herb list :
Refrences & Litretures:
  
825.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'498'      DOI:'10.1080/0972060X.2011.10643608'      Title:'Chemical Composition and Antimicrobial Activity of Chenopodium botrys L. Essential Oil'
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